8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

C18H28N2 — CID 43685398

IUPAC8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)C(NC1CC2CCC(C1)N2C)c1ccccc1
InChIInChI=1S/C18H28N2/c1-13(2)18(14-7-5-4-6-8-14)19-15-11-16-9-10-17(12-15)20(16)3/h4-8,13,15-19H,9-12H2,1-3H3
InChIKeyJUKGSLQGCCQLDH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.60
Rot. Bonds4

About 8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43685398) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43685398
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)C(NC1CC2CCC(C1)N2C)c1ccccc1
InChIInChI=1S/C18H28N2/c1-13(2)18(14-7-5-4-6-8-14)19-15-11-16-9-10-17(12-15)20(16)3/h4-8,13,15-19H,9-12H2,1-3H3
InChIKeyJUKGSLQGCCQLDH-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43685485
1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine
CID 80559993
8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 18363250
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
CID 65086617
9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472551
8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 2837528
2-(4-chlorophenyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetamide
CID 166244673
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 43685398) is 8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is CC(C)C(NC1CC2CCC(C1)N2C)c1ccccc1.
What is the InChIKey of 8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JUKGSLQGCCQLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13(2)18(14-7-5-4-6-8-14)19-15-11-16-9-10-17(12-15)20(16)3/h4-8,13,15-19H,9-12H2,1-3H3.
What are the key properties of 8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43685398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).